(2E)-N-[(4-chlorophenyl)methyl]-2-[(3-chlorophenyl)methylidene]-3-oxo-4H-1,4-benzothiazine-6-carboxamide

Formula:C23H16N2O2Cl2S Mutagenic:none Tumorigenic:none Reproductive Effective:none (2E)-N-[(4-chlorophenyl)methyl]-2-[(3-chlorophenyl)methylidene]-3-oxo-4H-1,4-benzothiazine-6-carboxamide is a drug-like molecule.

MolName(2E)-N-[(4-chlorophenyl)methyl]-2-[(3-chlorophenyl)methylidene]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
MolecularFormulaC23H16N2O2Cl2S
SmilesO=C(c(cc1)cc(NC2=O)c1S/C2=C/c1cccc(Cl)c1)NCc(cc1)ccc1Cl
InChIInChI=1S/C23H16Cl2N2O2S/c24-17-7-4-14(5-8-17)13-26-22(28)16-6-9-20-19(12-16)27-23(29)21(30-20)11-15-2-1-3-18(25)10-15/h1-12H,13H2,(H,26,28)(H,27,29)
InChIKRUCWPQKBQYMBLU-UHFFFAOYSA-N
TotalMolweight455.364
Molweight455.364
MonoisotopicMass454.030952
CLogP4.3259
CLogS-7.214
H Acceptors4
H Donors2
TotalSurfaceArea324.5
Relative PSA0.2049
PolarSurfaceArea83.5
Druglikeness3.1941
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.63333
Fragments1
Non HAtoms30
NonCHAtoms7
Electronegative Atoms7
Rotatable Bond4
Rings Closures4
Small Rings4
Aromatic Rings3
Aromatic Atoms18
Sp3Atoms2
Symmetricatoms2
Amides2
StereoCon

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